5-chloro-2-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine

C13H16ClN3OS — CID 80758897

IUPAC5-chloro-2-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine
SMILESCCCC(Nc1nc(OC)ncc1Cl)c1cccs1
InChIInChI=1S/C13H16ClN3OS/c1-3-5-10(11-6-4-7-19-11)16-12-9(14)8-15-13(17-12)18-2/h4,6-8,10H,3,5H2,1-2H3,(H,15,16,17)
InChIKeyBIMSJMPJWWEFKE-UHFFFAOYSA-N
MW297.81 g/mol
LogP4.15
Rot. Bonds6

About 5-chloro-2-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine

5-chloro-2-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine (PubChem CID 80758897) has the molecular formula C13H16ClN3OS and a molecular weight of 297.81 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine
PubChem CID80758897
Molecular FormulaC13H16ClN3OS
Molecular Weight297.81 g/mol
Exact Mass297.07
IUPAC Name5-chloro-2-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine
SMILESCCCC(Nc1nc(OC)ncc1Cl)c1cccs1
InChIInChI=1S/C13H16ClN3OS/c1-3-5-10(11-6-4-7-19-11)16-12-9(14)8-15-13(17-12)18-2/h4,6-8,10H,3,5H2,1-2H3,(H,15,16,17)
InChIKeyBIMSJMPJWWEFKE-UHFFFAOYSA-N
XLogP4.15
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-2-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine (CID 80758897) is 5-chloro-2-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine is CCCC(Nc1nc(OC)ncc1Cl)c1cccs1.
What is the InChIKey of 5-chloro-2-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine?
The InChIKey is BIMSJMPJWWEFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3OS/c1-3-5-10(11-6-4-7-19-11)16-12-9(14)8-15-13(17-12)18-2/h4,6-8,10H,3,5H2,1-2H3,(H,15,16,17).
What are the key properties of 5-chloro-2-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine?
5-chloro-2-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine has a molecular weight of 297.81 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 80758897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).